#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pou h LEU 6 N 0.00 -0.17 -0.63 -2.67 4.07 -1.98 0.21 115.31 114.13 1pou h LEU 6 Ca 0.00 0.22 0.12 0.00 0.08 0.00 0.00 57.88 58.30 1pou h LEU 6 Cb 0.00 0.34 -0.09 0.00 1.08 0.00 0.00 40.66 41.99 1pou h LEU 6 CO 0.00 -0.23 0.15 -0.08 -1.08 0.00 0.00 178.44 177.20 1pou h GLU 7 N 0.13 0.27 0.23 1.13 4.81 -2.00 0.11 114.58 119.25 1pou h GLU 7 Ca 0.56 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.76 1pou h GLU 7 Cb 1.13 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.46 1pou h GLU 7 CO -0.74 0.18 -0.11 0.93 -0.73 0.00 0.00 179.01 178.54 1pou h GLU 8 N 0.28 -0.30 -0.29 1.92 5.08 -1.11 -3.27 114.58 116.88 1pou h GLU 8 Ca 0.34 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.77 1pou h GLU 8 Cb 0.51 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 1pou h GLU 8 CO -0.42 0.05 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.53 1pou h LEU 9 N -0.70 -0.21 0.89 1.33 3.38 -0.38 0.92 115.31 120.55 1pou h LEU 9 Ca -0.03 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1pou h LEU 9 Cb 0.48 0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.40 1pou h LEU 9 CO 0.05 -0.07 -0.43 1.05 0.09 0.00 0.00 178.44 179.13 1pou h GLU 10 N 0.03 -1.16 -0.25 1.13 4.11 -0.94 0.20 114.58 117.71 1pou h GLU 10 Ca 0.14 0.08 0.06 0.00 0.07 0.00 0.00 59.36 59.71 1pou h GLU 10 Cb 0.21 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 29.64 1pou h GLU 10 CO -0.28 -0.77 -0.37 1.96 0.07 0.00 0.00 179.01 179.62 1pou h GLN 11 N -1.23 -0.37 -0.44 1.06 1.08 -1.60 0.14 115.11 113.76 1pou h GLN 11 Ca -0.12 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.19 1pou h GLN 11 Cb 0.92 0.08 -0.09 0.00 -0.05 0.00 0.00 27.48 28.34 1pou h GLN 11 CO 0.20 -0.24 -0.21 0.35 -0.95 0.00 0.00 178.83 177.98 1pou h PHE 12 N -0.38 -0.53 0.01 2.96 3.57 -0.74 0.82 116.94 122.65 1pou h PHE 12 Ca 0.12 0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.66 1pou h PHE 12 Cb 0.58 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.62 1pou h PHE 12 CO -0.50 -0.29 -0.00 0.00 -2.23 0.00 0.00 178.31 175.28 1pou h ALA 13 N 1.17 -0.01 0.00 2.41 0.00 0.45 0.32 119.26 123.60 1pou h ALA 13 Ca 0.21 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1pou h ALA 13 Cb 0.45 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1pou h ALA 13 CO -0.52 -0.45 -0.01 0.87 0.00 0.00 0.00 179.25 179.14 1pou h LYS 14 N -0.13 0.00 -0.12 0.00 6.56 -0.76 -0.62 116.57 121.51 1pou h LYS 14 Ca -0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.42 1pou h LYS 14 Cb 0.12 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 31.79 1pou h LYS 14 CO 0.00 0.01 -0.58 1.15 -2.06 0.00 0.00 179.45 177.97 1pou h THR 15 N 0.00 1.34 -0.25 -0.16 2.02 0.32 -0.98 112.91 115.20 1pou h THR 15 Ca -0.00 -1.87 0.06 0.00 0.77 0.00 0.00 66.41 65.37 1pou h THR 15 Cb 0.02 2.14 -0.07 0.00 -1.74 0.00 0.00 68.15 68.50 1pou h THR 15 CO 0.00 0.57 -0.19 0.15 0.37 0.00 0.00 175.52 176.42 1pou h PHE 16 N 0.24 -0.49 -0.00 3.16 3.04 0.28 0.70 116.94 123.87 1pou h PHE 16 Ca -0.04 0.03 0.03 0.00 3.98 0.00 0.00 57.97 61.98 1pou h PHE 16 Cb 1.22 0.26 -0.05 0.00 2.56 0.00 0.00 35.95 39.94 1pou h PHE 16 CO 0.11 -0.27 -0.30 -0.22 -2.02 0.00 0.00 178.31 175.61 1pou h LYS 17 N -0.18 -0.43 0.20 1.11 3.64 -1.07 0.18 116.57 120.02 1pou h LYS 17 Ca 0.14 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.56 1pou h LYS 17 Cb 0.40 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.29 1pou h LYS 17 CO -0.36 -0.29 -0.29 1.96 -2.27 0.00 0.00 179.45 178.20 1pou h GLN 18 N -0.45 -0.54 -0.36 1.90 4.20 -0.63 -0.11 115.11 119.13 1pou h GLN 18 Ca 0.06 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1pou h GLN 18 Cb 0.54 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.42 1pou h GLN 18 CO -0.26 -0.36 0.23 0.00 -0.67 0.00 0.00 178.83 177.77 1pou h ARG 19 N -0.56 0.48 -0.52 1.46 3.08 -0.76 -0.17 114.38 117.38 1pou h ARG 19 Ca 0.01 -0.04 0.10 0.00 0.07 0.00 0.00 59.98 60.13 1pou h ARG 19 Cb 0.55 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.39 1pou h ARG 19 CO -0.12 0.34 -0.23 -0.09 -1.07 0.00 0.00 179.97 178.81 1pou h ARG 20 N 0.48 -0.10 0.16 0.04 2.43 -0.44 0.21 114.38 117.16 1pou h ARG 20 Ca 0.13 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.30 1pou h ARG 20 Cb -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1pou h ARG 20 CO -0.03 -0.07 -0.08 0.82 -1.51 0.00 0.00 179.97 179.11 1pou h ILE 21 N -0.11 0.85 -0.97 1.20 2.04 -0.55 -0.57 117.51 119.41 1pou h ILE 21 Ca 0.24 -0.04 0.08 0.00 1.00 0.00 0.00 64.86 66.15 1pou h ILE 21 Cb 0.48 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 37.37 1pou h ILE 21 CO -0.59 0.01 0.62 0.11 0.00 0.00 0.00 178.15 178.29 1pou h LYS 22 N -0.23 1.04 0.00 2.37 1.79 -0.23 0.14 116.57 121.44 1pou h LYS 22 Ca -0.02 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.39 1pou h LYS 22 Cb 0.18 -0.23 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 1pou h LYS 22 CO 0.04 0.69 0.00 -0.07 -1.08 0.00 0.00 179.45 179.02 1pou h LEU 23 N 1.07 0.00 0.26 2.94 3.38 -0.40 -3.47 115.31 119.09 1pou h LEU 23 Ca 0.44 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.30 1pou h LEU 23 Cb 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1pou h LEU 23 CO -0.21 0.00 -0.10 0.61 0.09 0.00 0.00 178.44 178.83 1pou n GLY 24 N 0.07 0.80 3.49 0.83 0.00 0.48 -4.97 105.19 105.87 1pou n GLY 24 Ca 0.02 -0.80 -0.43 0.00 0.00 0.00 0.00 46.02 44.82 1pou n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pou s PHE 25 N -2.20 2.74 0.79 1.61 0.08 -0.32 -5.00 117.98 115.69 1pou s PHE 25 Ca 0.00 -0.83 -0.13 0.00 0.12 0.00 0.00 56.93 56.08 1pou s PHE 25 Cb 0.00 -4.42 0.07 0.00 -0.57 0.00 0.00 43.02 38.11 1pou s PHE 25 CO 0.00 -1.71 1.20 -0.08 -0.10 0.00 0.00 175.22 174.53 1pou s THR 26 N 4.00 2.13 -1.08 0.64 -1.32 -1.26 -4.53 115.64 114.22 1pou s THR 26 Ca 0.32 0.06 -0.21 0.00 -1.21 0.00 0.00 61.69 60.65 1pou s THR 26 Cb -0.08 -2.49 -0.08 0.00 -1.51 0.00 0.00 72.50 68.34 1pou s THR 26 CO -0.00 -0.04 1.93 0.00 -2.21 0.00 0.00 174.62 174.30 1pou n GLN 27 N -3.20 1.91 0.00 7.08 3.00 -1.26 -0.40 117.38 124.51 1pou n GLN 27 Ca 0.13 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.74 1pou n GLN 27 Cb 0.50 -3.37 0.00 0.00 0.00 0.00 0.00 30.24 27.37 1pou n GLN 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pou n GLY 28 N 5.13 0.34 0.17 1.08 0.00 -1.26 -4.51 105.19 106.14 1pou n GLY 28 Ca 0.48 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 46.44 1pou n GLY 28 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1pou h ASP 29 N 0.00 0.46 -0.03 1.61 1.82 -1.04 0.43 116.42 119.67 1pou h ASP 29 Ca 0.00 -0.12 0.04 0.00 -0.39 0.00 0.00 57.03 56.56 1pou h ASP 29 Cb 0.00 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 39.84 1pou h ASP 29 CO 0.00 0.45 -0.32 0.58 -1.61 0.00 0.00 179.24 178.34 1pou h VAL 30 N 0.44 0.31 -0.69 2.25 2.07 -1.44 0.63 116.25 119.81 1pou h VAL 30 Ca 0.12 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.78 1pou h VAL 30 Cb 0.11 0.31 -0.13 0.00 -1.52 0.00 0.00 31.29 30.06 1pou h VAL 30 CO -0.02 0.00 -0.14 1.23 0.02 0.00 0.00 177.57 178.66 1pou h GLY 31 N -0.45 0.54 1.00 2.17 0.00 -1.51 0.20 103.07 105.02 1pou h GLY 31 Ca 0.07 0.21 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 1pou h GLY 31 CO -0.28 -0.26 -0.21 -2.00 0.00 0.00 0.00 176.54 173.78 1pou h LEU 32 N 0.02 -0.50 -0.17 3.11 5.85 -0.39 0.85 115.31 124.07 1pou h LEU 32 Ca 0.34 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 1pou h LEU 32 Cb 0.53 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1pou h LEU 32 CO -0.69 -0.35 0.11 0.00 -0.34 0.00 0.00 178.44 177.16 1pou h ALA 33 N -0.04 0.22 -0.66 1.25 0.00 -0.05 0.15 119.26 120.13 1pou h ALA 33 Ca -0.06 -0.03 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1pou h ALA 33 Cb 0.46 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.09 1pou h ALA 33 CO 0.10 -0.28 0.17 0.52 0.00 0.00 0.00 179.25 179.76 1pou h MET 34 N 0.21 0.29 -0.54 0.00 2.86 -0.66 0.93 114.93 118.01 1pou h MET 34 Ca 0.06 -0.02 0.07 0.00 -2.06 0.00 0.00 59.70 57.76 1pou h MET 34 Cb 0.01 -0.07 -0.10 0.00 0.06 0.00 0.00 31.60 31.51 1pou h MET 34 CO -0.01 0.19 -0.49 0.78 1.06 0.00 0.00 176.91 178.44 1pou h GLY 35 N 0.30 -0.70 0.95 8.32 0.00 0.54 0.24 103.07 112.72 1pou h GLY 35 Ca 0.35 0.64 0.01 0.00 0.00 0.00 0.00 47.33 48.33 1pou h GLY 35 CO -0.43 -0.13 -0.01 0.50 0.00 0.00 0.00 176.54 176.48 1pou h LYS 36 N -0.28 -0.00 -0.04 4.80 6.56 0.65 -2.63 116.57 125.63 1pou h LYS 36 Ca 0.14 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.72 1pou h LYS 36 Cb 0.57 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.23 1pou h LYS 36 CO -0.67 -0.00 0.00 -0.07 -2.06 0.00 0.00 179.45 176.65 1pou h LEU 37 N -0.00 0.06 0.00 2.94 3.38 -0.60 -3.44 115.31 117.65 1pou h LEU 37 Ca 0.01 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.71 1pou h LEU 37 Cb 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1pou h LEU 37 CO -0.03 0.32 -0.17 -1.22 0.09 0.00 0.00 178.44 177.43 1pou n TYR 38 N -4.91 -0.90 0.00 1.13 4.01 0.56 -5.09 117.16 111.96 1pou n TYR 38 Ca -0.07 0.16 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1pou n TYR 38 Cb 0.16 0.34 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1pou n TYR 38 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pou n GLY 39 N 2.17 4.03 3.14 2.72 0.00 0.45 -4.93 105.19 112.78 1pou n GLY 39 Ca 0.00 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.19 1pou n GLY 39 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1pou n ASN 40 N 0.00 4.48 -1.98 1.61 5.15 -1.26 -3.69 115.26 119.57 1pou n ASN 40 Ca 0.00 -2.90 -0.11 0.00 -0.60 0.00 0.00 54.58 50.97 1pou n ASN 40 Cb 0.00 -1.68 0.24 0.00 -0.53 0.00 0.00 39.78 37.81 1pou n ASN 40 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 1pou n ASP 41 N 6.91 4.32 -2.78 1.20 2.03 -1.26 -4.55 116.55 122.41 1pou n ASP 41 Ca 0.49 -3.21 -0.03 0.00 0.52 0.00 0.00 54.79 52.56 1pou n ASP 41 Cb 0.42 -0.75 0.05 0.00 -0.72 0.00 0.00 41.12 40.12 1pou n ASP 41 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 1pou n PHE 42 N -0.38 0.89 -1.86 -0.67 3.01 -1.26 -4.67 117.46 112.51 1pou n PHE 42 Ca 0.43 -2.26 -0.29 0.00 1.01 0.00 0.00 57.45 56.33 1pou n PHE 42 Cb 1.39 -0.09 0.14 0.00 -0.01 0.00 0.00 39.48 40.91 1pou n PHE 42 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1pou s SER 43 N -3.38 3.74 0.28 4.37 0.01 -1.26 -3.67 113.70 113.79 1pou s SER 43 Ca 0.26 0.57 0.01 0.00 1.31 0.00 0.00 55.95 58.10 1pou s SER 43 Cb 0.37 -0.88 0.65 0.00 0.21 0.00 0.00 66.02 66.37 1pou s SER 43 CO -0.03 -2.37 1.67 1.56 0.41 0.00 0.00 173.24 174.48 1pou h GLN 44 N -1.38 0.25 -0.04 12.44 4.20 -1.98 0.13 115.11 128.73 1pou h GLN 44 Ca -0.46 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.25 1pou h GLN 44 Cb 1.29 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.99 1pou h GLN 44 CO 0.53 0.17 -0.19 1.79 -0.67 0.00 0.00 178.83 180.46 1pou h THR 45 N 0.26 0.00 -0.39 -0.54 1.35 -1.97 0.10 112.91 111.72 1pou h THR 45 Ca 0.52 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 66.24 1pou h THR 45 Cb 1.00 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1pou h THR 45 CO -0.60 0.00 -0.31 0.71 -0.25 0.00 0.00 175.52 175.08 1pou h THR 46 N -0.21 1.28 -0.52 6.82 1.35 -1.58 0.62 112.91 120.66 1pou h THR 46 Ca 0.01 -1.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.39 1pou h THR 46 Cb 0.24 1.34 -0.02 0.00 -1.73 0.00 0.00 68.15 67.98 1pou h THR 46 CO -0.14 0.49 0.29 0.40 -0.25 0.00 0.00 175.52 176.31 1pou h ILE 47 N 0.72 1.17 -0.53 6.82 1.08 -1.02 0.15 117.51 125.90 1pou h ILE 47 Ca 0.07 -0.42 0.03 0.00 -0.39 0.00 0.00 64.86 64.14 1pou h ILE 47 Cb 0.89 0.50 -0.04 0.00 -3.07 0.00 0.00 36.82 35.11 1pou h ILE 47 CO 0.08 0.18 0.32 0.28 -0.69 0.00 0.00 178.15 178.32 1pou h SER 48 N 0.70 0.51 -0.99 1.72 0.02 -0.65 -0.38 113.55 114.49 1pou h SER 48 Ca 0.18 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.27 1pou h SER 48 Cb 0.03 -0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.38 1pou h SER 48 CO -0.03 0.36 0.61 -0.09 -1.14 0.00 0.00 176.83 176.54 1pou h ARG 49 N 0.63 0.91 0.67 3.45 9.65 0.26 0.29 114.38 130.24 1pou h ARG 49 Ca 0.21 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.01 1pou h ARG 49 Cb 0.02 -0.20 0.01 0.00 -1.39 0.00 0.00 29.97 28.41 1pou h ARG 49 CO -0.10 0.60 -0.32 0.35 2.80 0.00 0.00 179.97 183.30 1pou h PHE 50 N 0.93 -0.83 0.00 2.20 3.57 -0.32 0.18 116.94 122.67 1pou h PHE 50 Ca 0.51 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.97 1pou h PHE 50 Cb 0.56 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.57 1pou h PHE 50 CO -0.01 -0.52 -0.07 0.93 -2.23 0.00 0.00 178.31 176.41 1pou h GLU 51 N -1.21 0.00 -0.31 1.11 5.08 -0.69 0.22 114.58 118.79 1pou h GLU 51 Ca -0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1pou h GLU 51 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1pou h GLU 51 CO 0.15 0.07 0.00 0.00 -1.00 0.00 0.00 179.01 178.23 1pou n ALA 52 N -2.36 2.47 -3.69 3.43 0.00 0.10 -4.83 120.51 115.63 1pou n ALA 52 Ca -0.02 -0.62 -0.27 0.00 0.00 0.00 0.00 53.44 52.53 1pou n ALA 52 Cb 0.16 -1.01 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 1pou n ALA 52 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1pou n LEU 53 N 0.52 -0.96 0.09 0.00 4.32 0.79 -4.81 117.00 116.94 1pou n LEU 53 Ca 0.14 -0.57 -0.08 0.00 -0.02 0.00 0.00 56.01 55.48 1pou n LEU 53 Cb 0.32 -1.68 -0.01 0.00 -1.62 0.00 0.00 43.42 40.44 1pou n LEU 53 CO 0.10 0.11 0.26 0.78 -1.22 0.00 0.00 177.39 177.42 1pou h ASN 54 N -0.77 0.24 0.00 -1.43 -0.26 -0.88 -0.97 115.58 111.51 1pou h ASN 54 Ca -0.41 -0.19 0.00 0.00 -0.56 0.00 0.00 56.30 55.13 1pou h ASN 54 Cb 1.27 -0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.46 1pou h ASN 54 CO 0.57 1.00 0.08 0.18 -1.06 0.00 0.00 177.43 178.20 1pou n LEU 55 N -3.65 0.48 0.00 1.61 4.77 -1.13 -4.85 117.00 114.23 1pou n LEU 55 Ca -0.03 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.64 1pou n LEU 55 Cb 0.80 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1pou n LEU 55 CO 0.48 -0.86 0.00 -1.20 -1.33 0.00 0.00 177.39 174.47 1pou n SER 56 N -2.18 0.00 0.03 -1.43 7.64 -0.37 -3.72 113.62 113.60 1pou n SER 56 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.87 1pou n SER 56 Cb 0.11 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1pou n SER 56 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1pou n PHE 57 N 0.00 -1.94 -0.36 1.43 7.35 -1.26 -4.89 117.46 117.80 1pou n PHE 57 Ca 0.00 0.23 -0.06 0.00 -0.76 0.00 0.00 57.45 56.86 1pou n PHE 57 Cb 0.00 0.82 -0.03 0.00 0.35 0.00 0.00 39.48 40.62 1pou n PHE 57 CO 0.00 0.00 0.00 0.36 -0.76 0.00 0.00 176.76 176.36 1pou n LYS 58 N -2.51 -0.30 0.05 -4.13 2.85 -1.24 -0.77 118.16 112.10 1pou n LYS 58 Ca 0.00 1.34 -0.21 0.00 -1.05 0.00 0.00 58.31 58.39 1pou n LYS 58 Cb 0.00 -1.98 -0.15 0.00 -0.65 0.00 0.00 35.03 32.25 1pou n LYS 58 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 177.40 176.38 1pou h ASN 59 N 0.00 0.49 -0.96 -5.58 -0.73 -1.97 -3.36 115.58 103.48 1pou h ASN 59 Ca 0.22 -0.92 0.30 0.00 1.87 0.00 0.00 56.30 57.77 1pou h ASN 59 Cb 0.44 -0.16 -0.16 0.00 0.27 0.00 0.00 38.32 38.71 1pou h ASN 59 CO -0.85 1.51 0.37 0.24 -0.37 0.00 0.00 177.43 178.33 1pou h MET 60 N -0.28 0.18 0.00 6.67 2.86 -1.41 0.15 114.93 123.10 1pou h MET 60 Ca -0.21 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.41 1pou h MET 60 Cb 1.75 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.37 1pou h MET 60 CO 0.14 0.12 -0.02 0.00 1.06 0.00 0.00 176.91 178.20 1pou n LYS 62 N -3.28 0.62 -0.28 0.00 4.01 0.40 -4.37 118.16 115.26 1pou n LYS 62 Ca -0.02 0.47 -0.01 0.00 -0.51 0.00 0.00 58.31 58.24 1pou n LYS 62 Cb 0.15 -1.72 0.05 0.00 -0.51 0.00 0.00 35.03 33.00 1pou n LYS 62 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 1pou h LEU 63 N -0.70 -1.06 0.75 -0.35 7.12 -0.50 -1.90 115.31 118.67 1pou h LEU 63 Ca -0.39 0.25 -0.04 0.00 0.13 0.00 0.00 57.88 57.83 1pou h LEU 63 Cb 1.53 0.59 0.01 0.00 -0.53 0.00 0.00 40.66 42.25 1pou h LEU 63 CO -0.14 -0.29 -0.36 0.50 -0.13 0.00 0.00 178.44 178.02 1pou h LYS 64 N -0.06 -0.97 -0.80 1.25 3.11 -0.85 -0.10 116.57 118.14 1pou h LYS 64 Ca 0.32 0.07 0.17 0.00 -2.81 0.00 0.00 60.65 58.40 1pou h LYS 64 Cb 0.58 0.22 -0.15 0.00 -1.00 0.00 0.00 32.23 31.88 1pou h LYS 64 CO -0.81 -0.63 -0.14 -1.35 -2.81 0.00 0.00 179.45 173.70 1pou h PRO 65 N -1.08 0.02 0.04 1.90 0.11 -1.72 0.30 132.00 131.57 1pou h PRO 65 Ca -0.10 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.00 1pou h PRO 65 Cb 0.79 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.89 1pou h PRO 65 CO 0.17 0.01 -0.02 -0.07 -0.21 0.00 0.00 178.00 177.88 1pou h LEU 66 N 0.02 -0.05 -1.07 2.35 4.07 -0.82 0.47 115.31 120.28 1pou h LEU 66 Ca 0.40 -0.02 -0.06 0.00 0.08 0.00 0.00 57.88 58.28 1pou h LEU 66 Cb 0.66 0.01 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1pou h LEU 66 CO -0.80 -0.01 -0.01 -0.07 -1.08 0.00 0.00 178.44 176.48 1pou h LEU 67 N -0.09 0.61 -0.12 1.67 3.38 -0.53 -0.34 115.31 119.91 1pou h LEU 67 Ca -0.01 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 1pou h LEU 67 Cb 0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1pou h LEU 67 CO 0.01 0.69 0.06 -0.08 0.09 0.00 0.00 178.44 179.21 1pou h GLU 68 N 0.61 0.17 -0.37 1.13 4.81 0.41 0.22 114.58 121.56 1pou h GLU 68 Ca 0.12 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.36 1pou h GLU 68 Cb 0.40 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 1pou h GLU 68 CO 0.02 0.23 0.19 0.87 -0.73 0.00 0.00 179.01 179.58 1pou h LYS 69 N 0.07 0.38 -0.38 1.92 1.79 -0.78 0.01 116.57 119.58 1pou h LYS 69 Ca 0.04 -0.02 0.08 0.00 -2.18 0.00 0.00 60.65 58.57 1pou h LYS 69 Cb 0.11 -0.09 -0.07 0.00 -1.58 0.00 0.00 32.23 30.60 1pou h LYS 69 CO -0.01 0.25 -0.11 2.35 -1.08 0.00 0.00 179.45 180.86 1pou h TRP 70 N 0.39 -0.24 -0.49 -1.35 7.01 -0.62 0.45 115.95 121.10 1pou h TRP 70 Ca 0.16 0.04 -0.07 0.00 2.11 0.00 0.00 58.89 61.12 1pou h TRP 70 Cb 0.06 0.16 -0.02 0.00 -2.10 0.00 0.00 29.16 27.27 1pou h TRP 70 CO -0.10 -0.18 0.01 1.25 -2.79 0.00 0.00 178.44 176.64 1pou h LEU 71 N -0.02 0.83 0.29 0.65 6.46 -0.02 0.18 115.31 123.67 1pou h LEU 71 Ca 0.19 -0.30 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1pou h LEU 71 Cb 0.30 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 1pou h LEU 71 CO -0.40 0.92 -0.48 -1.13 -0.62 0.00 0.00 178.44 176.73 1pou h ASN 72 N 0.71 -1.37 -0.29 1.25 -1.24 -0.75 -1.03 115.58 112.85 1pou h ASN 72 Ca 0.14 0.13 0.02 0.00 0.71 0.00 0.00 56.30 57.30 1pou h ASN 72 Cb 0.49 0.48 -0.02 0.00 0.73 0.00 0.00 38.32 40.00 1pou h ASN 72 CO 0.02 -0.58 0.16 0.44 -1.29 0.00 0.00 177.43 176.18 1pou h ASP 73 N -0.83 0.24 -0.53 1.15 3.32 -0.44 -0.91 116.42 118.43 1pou h ASP 73 Ca -0.02 0.01 -0.29 0.00 0.02 0.00 0.00 57.03 56.75 1pou h ASP 73 Cb 0.78 -0.04 -0.16 0.00 0.22 0.00 0.00 39.33 40.13 1pou h ASP 73 CO -0.17 0.18 0.36 0.00 -1.72 0.00 0.00 179.24 177.89 1pou n ALA 74 N -2.22 4.28 -0.23 3.45 0.00 0.57 -5.10 120.51 121.26 1pou n ALA 74 Ca -0.01 -1.57 0.00 0.00 0.00 0.00 0.00 53.44 51.86 1pou n ALA 74 Cb 0.06 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1pou n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89